Sodium ion → 3-(2,5-Difluorophenyl)-7-(1,1-dimethylethyl)-6-((1-methyl-1H-1,2,4-triazol-5-yl)methoxy)-1,2,4-triazolo(4,3-b)pyridazine

HRID 94762Notes

Reaction equation

HRID 94762 reaction equation
[CH3:1][n:2]1[n:3][cH:4][n:5][c:6]1[CH2:7][OH:8].[Cl:9][c:10]1[c:11]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:12][c:13]2[n:14]([n:15]1)[c:16](-[c:19]1[c:20]([F:26])[cH:21][cH:22][c:23]([F:25])[cH:24]1)[n:17][n:18]2.[H-:31].[Na+:32].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:38]>>[CH3:1][n:2]1[n:3][cH:4][n:5][c:6]1[CH2:7][O:8][c:10]1[c:11]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:12][c:13]2[n:14]([n:15]1)[c:16](-[c:19]1[c:20]([F:26])[cH:21][cH:22][c:23]([F:25])[cH:24]1)[n:17][n:18]2

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 11073377(1-methyl-1H-1,2,4-triazol-5-yl)methanolHCID 112557487-tert-Butyl-6-chloro-3-(2,5-difluorophenyl)-1,2,4-triazolo[4,3-b]pyridazine

Product 1

HCID 99088803-(2,5-Difluorophenyl)-7-(1,1-dimethylethyl)-6-((1-methyl-1H-1,2,4-triazol-5-yl)methoxy)-1,2,4-triazolo(4,3-b)pyridazine

Sources & evidence

ORD record
ord-e78e99cb488a4b07906b1b688eb9ce5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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